OpenRaiser/Intern-Atlas huggingface dataset:
Reinforced Compressive Neural Architecture Search for Versatile Adversarial Robustness
Venue: arXiv cs.LG 2024
Year: 2024

Prior neural architecture search (NAS) for adversarial robustness works have discovered that a lightweight and adversarially robust neural network architecture could exist in a non-robust large teacher network, generally disclosed by heuristic rules through statistical analysis and neural architecture search, generally disclosed by heuristic rules from neural architecture search. However, heuristic methods cannot uniformly handle different adversarial attacks and "teacher" network capacity. To solve this challenge, we propose a Reinforced Compressive Neural Architecture Search (RC-NAS) for Versatile Adversarial Robustness. Specifically, we define task settings that compose datasets, adversarial attacks, and teacher network information. Given diverse tasks, we conduct a novel dual-level training paradigm that consists of a meta-training and a fine-tuning phase to effectively expose the RL agent to diverse attack scenarios (in meta-training), and making it adapt quickly to locate a sub-network (in fine-tuning) for any previously unseen scenarios. Experiments show that our framework could achieve adaptive compression towards different initial teacher networks, datasets, and adversarial attacks, resulting in more lightweight and adversarially robust architectures.
Streaming Algorithms with Few State Changes
Venue: arXiv cs.DS 2024
Year: 2024

In this paper, we study streaming algorithms that minimize the number of changes made to their internal state (i.e., memory contents). While the design of streaming algorithms typically focuses on minimizing space and update time, these metrics fail to capture the asymmetric costs, inherent in modern hardware and database systems, of reading versus writing to memory. In fact, most streaming algorithms write to their memory on every update, which is undesirable when writing is significantly more expensive than reading. This raises the question of whether streaming algorithms with small space and number of memory writes are possible. We first demonstrate that, for the fundamental $F_p$ moment estimation problem with $p\ge 1$, any streaming algorithm that achieves a constant factor approximation must make $Ω(n^{1-1/p})$ internal state changes, regardless of how much space it uses. Perhaps surprisingly, we show that this lower bound can be matched by an algorithm that also has near-optimal space complexity. Specifically, we give a $(1+\varepsilon)$-approximation algorithm for $F_p$ moment estimation that uses a near-optimal $\widetilde{\mathcal{O}}_\varepsilon(n^{1-1/p})$ number of state changes, while simultaneously achieving near-optimal space, i.e., for $p\in[1,2]$, our algorithm uses $\text{poly}\left(\log n,\frac{1}{\varepsilon}\right)$ bits of space, while for $p>2$, the algorithm uses $\widetilde{\mathcal{O}}_\varepsilon(n^{1-2/p})$ space. We similarly design streaming algorithms that are simultaneously near-optimal in both space complexity and the number of state changes for the heavy-hitters problem, sparse support recovery, and entropy estimation. Our results demonstrate that an optimal number of state changes can be achieved without sacrificing space complexity.
CompassDock: Comprehensive Accurate Assessment Approach for Deep Learning-Based Molecular Docking in Inference and Fine-Tuning
Venue: arXiv cs.LG 2024
Year: 2024

Datasets used for molecular docking, such as PDBBind, contain technical variability - they are noisy. Although the origins of the noise have been discussed, a comprehensive analysis of the physical, chemical, and bioactivity characteristics of the datasets is still lacking. To address this gap, we introduce the Comprehensive Accurate Assessment (Compass). Compass integrates two key components: PoseCheck, which examines ligand strain energy, protein-ligand steric clashes, and interactions, and AA-Score, a new empirical scoring function for calculating binding affinity energy. Together, these form a unified workflow that assesses both the physical/chemical properties and bioactivity favorability of ligands and protein-ligand interactions. Our analysis of the PDBBind dataset using Compass reveals substantial noise in the ground truth data. Additionally, we propose CompassDock, which incorporates the Compass module with DiffDock, the state-of-the-art deep learning-based molecular docking method, to enable accurate assessment of docked ligands during inference. Finally, we present a new paradigm for enhancing molecular docking model performance by fine-tuning with Compass Scores, which encompass binding affinity energy, strain energy, and the number of steric clashes identified by Compass. Our results show that, while fine-tuning without Compass improves the percentage of docked poses with RMSD < 2Å, it leads to a decrease in physical/chemical and bioactivity favorability. In contrast, fine-tuning with Compass shows a limited improvement in RMSD < 2Å but enhances the physical/chemical and bioactivity favorability of the ligand conformation. The source code is available publicly at https://github.com/BIMSBbioinfo/CompassDock.
What's in an embedding? Would a rose by any embedding smell as sweet?
Venue: arXiv cs.AI 2024
Year: 2024

Large Language Models (LLMs) are often criticized for lacking true "understanding" and the ability to "reason" with their knowledge, being seen merely as autocomplete systems. We believe that this assessment might be missing a nuanced insight. We suggest that LLMs do develop a kind of empirical "understanding" that is "geometry"-like, which seems adequate for a range of applications in NLP, computer vision, coding assistance, etc. However, this "geometric" understanding, built from incomplete and noisy data, makes them unreliable, difficult to generalize, and lacking in inference capabilities and explanations, similar to the challenges faced by heuristics-based expert systems decades ago. To overcome these limitations, we suggest that LLMs should be integrated with an "algebraic" representation of knowledge that includes symbolic AI elements used in expert systems. This integration aims to create large knowledge models (LKMs) that not only possess "deep" knowledge grounded in first principles, but also have the ability to reason and explain, mimicking human expert capabilities. To harness the full potential of generative AI safely and effectively, a paradigm shift is needed from LLM to more comprehensive LKM.
$\textbf{PLUM}$: Improving Code LMs with Execution-Guided On-Policy Preference Learning Driven By Synthetic Test Cases
Venue: arXiv cs.CL 2024
Year: 2024

Preference learning provides a promising solution to address the limitations of supervised fine-tuning (SFT) for code language models, where the model is not explicitly trained to differentiate between correct and incorrect code. Recent findings demonstrate that on-policy data is the key to successful preference learning, where the preference data is collected using the same policy LM being trained. Inspired by this, we propose PLUM, an on-policy $\textbf{P}$reference $\textbf{L}$earning framework A$\textbf{u}$gmented with test cases for code L$\textbf{M}$ s. The framework operates in three key stages: (1) automatic generation of test cases from natural language instructions, (2) creation of a preference data by evaluating candidate code solutions sampled from the policy, which can then be used to (3) train the policy LM. PLUM levitates the need to train reward models, allowing for large scale on-policy and online preference data collation. PLUM is evaluated on both standard benchmarks (HumanEval, MBPP) and more challenging ones (LiveCodeBench), delivering substantial improvements over original SFT'ed models and other execution-feedback-driven approaches. We show PLUM's benefits are consistent across various widely-used code LMs even they have been well-trained with SFT. For example, PLUM increases pass rates by up to 4.8% on average on standard benchmarks and 11.8% on LiveCodeBench, demonstrating its effectiveness and generalizability. We also demonstrate the benefits of on-policy and online preference learning by comprehensive experimentation.
Scalability in Workforce Management: Applying Scalability Principles to Foster a Four-Day Work Week
Venue: arXiv cs.CY 2024
Year: 2024

The traditional five-day workweek faces mounting challenges, prompting exploration of alternative models like the four-day workweek. This research explores the transformative potential of scalability principles derived from cloud computing and IT in redefining workforce management for a four-day workweek. The study employs a Multivocal Literacy Research methodology, combining grey literature and systematic review approaches. Through a comprehensive review of related work, the challenges, and benefits of transitioning to a four-day workweek are explored. Pilot programs, clear communication, and agility are identified as critical success factors. The synthesis of scalability principles in workforce management serves as a powerful framework for a smooth transition towards a four-day workweek. By prioritizing adaptability, dynamic resource allocation, and data-driven insights, organizations can unlock the full potential of a compressed work schedule. This research contributes valuable insights for organizations seeking to thrive in the evolving landscape of modern work structures and prioritizing employee well-being.
Non-autoregressive Personalized Bundle Generation
Venue: arXiv cs.LG 2024
Year: 2024

The personalized bundle generation problem, which aims to create a preferred bundle for user from numerous candidate items, receives increasing attention in recommendation. However, existing works ignore the order-invariant nature of the bundle and adopt sequential modeling methods as the solution, which might introduce inductive bias and cause a large latency in prediction. To address this problem, we propose to perform the bundle generation via non-autoregressive mechanism and design a novel encoder-decoder framework named BundleNAT, which can effectively output the targeted bundle in one-shot without relying on any inherent order. In detail, instead of learning sequential dependency, we propose to adopt pre-training techniques and graph neural network to fully embed user-based preference and item-based compatibility information, and use a self-attention based encoder to further extract global dependency pattern. We then design a permutation-equivariant decoding architecture that is able to directly output the desired bundle in a one-shot manner. Experiments on three real-world datasets from Youshu and Netease show the proposed BundleNAT significantly outperforms the current state-of-the-art methods in average by up to 35.92%, 10.97% and 23.67% absolute improvements in Precision, Precision+, and Recall, respectively.
Turning the Tide on Dark Pools? Towards Multi-Stakeholder Vulnerability Notifications in the Ad-Tech Supply Chain
Venue: arXiv cs.CR 2024
Year: 2024

Online advertising relies on a complex and opaque supply chain that involves multiple stakeholders, including advertisers, publishers, and ad-networks, each with distinct and sometimes conflicting incentives. Recent research has demonstrated the existence of ad-tech supply chain vulnerabilities such as dark pooling, where low-quality publishers bundle their ad inventory with higher-quality ones to mislead advertisers. We investigate the effectiveness of vulnerability notification campaigns aimed at mitigating dark pooling. Prior research on vulnerability notifications has primarily focused on single-stakeholder scenarios, and it is unclear whether vulnerability notifications can be effective in the multi-stakeholder ad-tech supply chain. We implement an automated vulnerability notification pipeline to systematically evaluate the responsiveness of various stakeholders, including publishers, ad-networks, and advertisers to vulnerability notifications by academics and activists. Our nine-month long multi-stakeholder notification study shows that notifications are an effective method for reducing dark pooling vulnerabilities in the online advertising ecosystem, especially when targeted towards ad-networks. Further, the sender reputation does not impact responses to notifications from activists and academics in a statistically different way. In addition to being the first notification study targeting the online advertising ecosystem, we are also the first to study multi-stakeholder context in vulnerability notifications.
Generative Lifting of Multiview to 3D from Unknown Pose: Wrapping NeRF inside Diffusion
Venue: arXiv cs.CV 2024
Year: 2024

We cast multiview reconstruction from unknown pose as a generative modeling problem. From a collection of unannotated 2D images of a scene, our approach simultaneously learns both a network to predict camera pose from 2D image input, as well as the parameters of a Neural Radiance Field (NeRF) for the 3D scene. To drive learning, we wrap both the pose prediction network and NeRF inside a Denoising Diffusion Probabilistic Model (DDPM) and train the system via the standard denoising objective. Our framework requires the system accomplish the task of denoising an input 2D image by predicting its pose and rendering the NeRF from that pose. Learning to denoise thus forces the system to concurrently learn the underlying 3D NeRF representation and a mapping from images to camera extrinsic parameters. To facilitate the latter, we design a custom network architecture to represent pose as a distribution, granting implicit capacity for discovering view correspondences when trained end-to-end for denoising alone. This technique allows our system to successfully build NeRFs, without pose knowledge, for challenging scenes where competing methods fail. At the conclusion of training, our learned NeRF can be extracted and used as a 3D scene model; our full system can be used to sample novel camera poses and generate novel-view images.
Open Packing in Graphs: Bounds and Complexity
Venue: arXiv cs.DM 2024
Year: 2024

Given a graph $G(V,E)$, a vertex subset $S$ of $G$ is called an open packing in $G$ if no pair of distinct vertices in $S$ have a common neighbour in $G$. The size of a largest open packing in $G$ is called the open packing number, $ρ^o(G)$, of $G$. It would be interesting to note that the open packing number is a lower bound for the total domination number in graphs with no isolated vertices [Henning and Slater, 1999]. Given a graph $G$ and a positive integer $k$, the decision problem OPEN PACKING tests whether $G$ has an open packing of size at least $k$. The optimization problem MAX-OPEN PACKING takes a graph $G$ as input and finds the open packing number of $G$. It is known that OPEN PACKING is NP-complete on split graphs (i.e., $\{2K_2,C_4,C_5\}$-free graphs) [Ramos et al., 2014]. In this work, we complete the study on the complexity (P vs NPC) of OPEN PACKING on $H$-free graphs for every graph $H$ with at least three vertices by proving that OPEN PACKING is (i) NP-complete on $K_{1,3}$-free graphs and (ii) polynomial time solvable on $(P_4\cup rK_1)$-free graphs for every $r\geq 1$. In the course of proving (ii), we show that for every $t\in {2,3,4}$ and $r\geq 1$, if G is a $(P_t\cup rK_1)$-free graph, then $ρ^o(G)$ is bounded above by a linear function of $r$. Moreover, we show that OPEN PACKING parameterized by solution size is W[1]-complete on $K_{1,3}$-free graphs and MAX-OPEN PACKING is hard to approximate within a factor of $n^{(\frac{1}{2}-δ)}$ for any $δ>0$ on $K_{1,3}$-free graphs unless P=NP. Further, we prove that OPEN PACKING is (a) NP-complete on $K_{1,4}$-free split graphs and (b) polynomial time solvable on $K_{1,3}$-free split graphs. We prove a similar dichotomy result on split graphs with degree restrictions on the vertices in the independent set of the clique-independent set partition of the split graphs.
LiSD: An Efficient Multi-Task Learning Framework for LiDAR Segmentation and Detection
Venue: arXiv cs.CV 2024
Year: 2024

With the rapid proliferation of autonomous driving, there has been a heightened focus on the research of lidar-based 3D semantic segmentation and object detection methodologies, aiming to ensure the safety of traffic participants. In recent decades, learning-based approaches have emerged, demonstrating remarkable performance gains in comparison to conventional algorithms. However, the segmentation and detection tasks have traditionally been examined in isolation to achieve the best precision. To this end, we propose an efficient multi-task learning framework named LiSD which can address both segmentation and detection tasks, aiming to optimize the overall performance. Our proposed LiSD is a voxel-based encoder-decoder framework that contains a hierarchical feature collaboration module and a holistic information aggregation module. Different integration methods are adopted to keep sparsity in segmentation while densifying features for query initialization in detection. Besides, cross-task information is utilized in an instance-aware refinement module to obtain more accurate predictions. Experimental results on the nuScenes dataset and Waymo Open Dataset demonstrate the effectiveness of our proposed model. It is worth noting that LiSD achieves the state-of-the-art performance of 83.3% mIoU on the nuScenes segmentation benchmark for lidar-only methods.
Heterogeneous Learning Rate Scheduling for Neural Architecture Search on Long-Tailed Datasets
Venue: arXiv cs.LG 2024
Year: 2024

In this paper, we attempt to address the challenge of applying Neural Architecture Search (NAS) algorithms, specifically the Differentiable Architecture Search (DARTS), to long-tailed datasets where class distribution is highly imbalanced. We observe that traditional re-sampling and re-weighting techniques, which are effective in standard classification tasks, lead to performance degradation when combined with DARTS. To mitigate this, we propose a novel adaptive learning rate scheduling strategy tailored for the architecture parameters of DARTS when integrated with the Bilateral Branch Network (BBN) for handling imbalanced datasets. Our approach dynamically adjusts the learning rate of the architecture parameters based on the training epoch, preventing the disruption of well-trained representations in the later stages of training. Additionally, we explore the impact of branch mixing factors on the algorithm's performance. Through extensive experiments on the CIFAR-10 dataset with an artificially induced long-tailed distribution, we demonstrate that our method achieves comparable accuracy to using DARTS alone. And the experiment results suggest that re-sampling methods inherently harm the performance of the DARTS algorithm. Our findings highlight the importance of careful data augment when applying DNAS to imbalanced learning scenarios.
Integrating Domain Knowledge for handling Limited Data in Offline RL
Venue: arXiv cs.LG 2024
Year: 2024

With the ability to learn from static datasets, Offline Reinforcement Learning (RL) emerges as a compelling avenue for real-world applications. However, state-of-the-art offline RL algorithms perform sub-optimally when confronted with limited data confined to specific regions within the state space. The performance degradation is attributed to the inability of offline RL algorithms to learn appropriate actions for rare or unseen observations. This paper proposes a novel domain knowledge-based regularization technique and adaptively refines the initial domain knowledge to considerably boost performance in limited data with partially omitted states. The key insight is that the regularization term mitigates erroneous actions for sparse samples and unobserved states covered by domain knowledge. Empirical evaluations on standard discrete environment datasets demonstrate a substantial average performance increase of at least 27% compared to existing offline RL algorithms operating on limited data.
Optimal Gait Control for a Tendon-driven Soft Quadruped Robot by Model-based Reinforcement Learning
Venue: arXiv cs.RO 2024
Year: 2024

This study presents an innovative approach to optimal gait control for a soft quadruped robot enabled by four Compressible Tendon-driven Soft Actuators (CTSAs). Improving our previous studies of using model-free reinforcement learning for gait control, we employ model-based reinforcement learning (MBRL) to further enhance the performance of the gait controller. Compared to rigid robots, the proposed soft quadruped robot has better safety, less weight, and a simpler mechanism for fabrication and control. However, the primary challenge lies in developing sophisticated control algorithms to attain optimal gait control for fast and stable locomotion. The research employs a multi-stage methodology, including state space restriction, data-driven model training, and reinforcement learning algorithm development. Compared to benchmark methods, the proposed MBRL algorithm, combined with post-training, significantly improves the efficiency and performance of gait control policies. The developed policy is both robust and adaptable to the robot's deformable morphology. The study concludes by highlighting the practical applicability of these findings in real-world scenarios.
Guiding Catalogue Enrichment with User Queries
Venue: arXiv cs.IR 2024
Year: 2024

Techniques for knowledge graph (KGs) enrichment have been increasingly crucial for commercial applications that rely on evolving product catalogues. However, because of the huge search space of potential enrichment, predictions from KG completion (KGC) methods suffer from low precision, making them unreliable for real-world catalogues. Moreover, candidate facts for enrichment have varied relevance to users. While making correct predictions for incomplete triplets in KGs has been the main focus of KGC method, the relevance of when to apply such predictions has been neglected. Motivated by the product search use case, we address the angle of generating relevant completion for a catalogue using user search behaviour and the users property association with a product. In this paper, we present our intuition for identifying enrichable data points and use general-purpose KGs to show-case the performance benefits. In particular, we extract entity-predicate pairs from user queries, which are more likely to be correct and relevant, and use these pairs to guide the prediction of KGC methods. We assess our method on two popular encyclopedia KGs, DBPedia and YAGO 4. Our results from both automatic and human evaluations show that query guidance can significantly improve the correctness and relevance of prediction.
Augmenting Offline RL with Unlabeled Data
Venue: arXiv cs.AI 2024
Year: 2024

Recent advancements in offline Reinforcement Learning (Offline RL) have led to an increased focus on methods based on conservative policy updates to address the Out-of-Distribution (OOD) issue. These methods typically involve adding behavior regularization or modifying the critic learning objective, focusing primarily on states or actions with substantial dataset support. However, we challenge this prevailing notion by asserting that the absence of an action or state from a dataset does not necessarily imply its suboptimality. In this paper, we propose a novel approach to tackle the OOD problem. We introduce an offline RL teacher-student framework, complemented by a policy similarity measure. This framework enables the student policy to gain insights not only from the offline RL dataset but also from the knowledge transferred by a teacher policy. The teacher policy is trained using another dataset consisting of state-action pairs, which can be viewed as practical domain knowledge acquired without direct interaction with the environment. We believe this additional knowledge is key to effectively solving the OOD issue. This research represents a significant advancement in integrating a teacher-student network into the actor-critic framework, opening new avenues for studies on knowledge transfer in offline RL and effectively addressing the OOD challenge.